SCHEMBL7549546

SCHEMBL7549546

CCCCCCCCCCCCCCC(=O)CC(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HAO1 Q9UJM8 1/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
DEGS1 O15121 1/20 0.38
FAAH O00519 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7556113 1.00 MEN1 (0.43) MEN1KMT2AHAO1MAPK1TP53
SCHEMBL7596511 0.90 MEN1 (0.42) MEN1KMT2AMAPK1TP53CYP1A2
SCHEMBL28097660 0.85 MAPK1 (0.38) MEN1KMT2AMAPK1TP53CYP1A2
SCHEMBL27881097 0.82 HAO1 (0.45) MEN1KMT2AHAO1MAPT
SCHEMBL11320333 0.82 LMNA (0.37) MEN1KMT2AMAPK1TP53CYP1A2
SCHEMBL1389469 0.79 PAOX (0.40) MEN1KMT2A
SCHEMBL11326218 0.79 LMNA (0.39) MAPK1TP53CYP1A2CYP2D6MAPT
SCHEMBL11314672 0.79 LMNA (0.39) MAPK1TP53CYP1A2CYP2D6MAPT
SCHEMBL11319586 0.79 LMNA (0.39) MAPK1TP53CYP1A2CYP2D6MAPT
SCHEMBL28097661 0.79 LMNA (0.39) MAPK1TP53CYP1A2CYP2D6MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002051803-A2 NOVEL C-GLYCOSIDE DERIVATIVES AND USE THEREOF L'OREAL (FR) 2002-07-04 WO disclosed